Match comparison for Multipoles [step 0] (match type 29347)
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.218847493575595e-15 | 1.000000000000000e-04 | -1.412691613007288e-15 | 3.979607795392362e-15 | 3.774758283725532e-15 | 9.103828801926284e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
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Detailed information
Reference: 0.000000000000004218847493575595, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-ppc: [foss2022a-serial] | -4.160608648723110e-15 | -8.379456142298704e-15 | -8.379456142298704e-11 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 3.511854862858226e-15 | -7.069926307173684e-16 | -7.069926307173684e-12 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 1.737184210031172e-15 | -2.481663283544423e-15 | -2.481663283544423e-11 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 1.776356839400250e-15 | -2.442490654175344e-15 | -2.442490654175344e-11 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 1.287858708565182e-14 | 8.659739592076221e-15 | 8.659739592076221e-11 | PASS |
| foss-serial-full: [foss2023a-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.065638040251445e-15 | -7.284485533827041e-15 | -7.284485533827040e-11 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.270410569336908e-15 | -7.489258062912502e-15 | -7.489258062912501e-11 | PASS |
| foss-serial-debug: [foss2023a-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| foss-serial-full: [foss2023b-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.815900866079434e-15 | -7.034748359655028e-15 | -7.034748359655028e-11 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.552713678800501e-15 | -6.661338147750939e-16 | -6.661338147750939e-12 | PASS |
| intel-serial: [intel2023a-serial] | -4.555175762362960e-15 | -8.774023255938554e-15 | -8.774023255938553e-11 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.693184588232437e-15 | -6.912032081808031e-15 | -6.912032081808031e-11 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -5.329070518200751e-15 | -9.547918011776346e-15 | -9.547918011776346e-11 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.776356839400250e-15 | -5.995204332975845e-15 | -5.995204332975845e-11 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -1.776356839400250e-15 | -5.995204332975845e-15 | -5.995204332975845e-11 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 6.217248937900877e-15 | 1.998401444325282e-15 | 1.998401444325282e-11 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -4.440892098500626e-15 | -8.659739592076221e-15 | -8.659739592076221e-11 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.192255577604551e-15 | -7.411103071180146e-15 | -7.411103071180146e-11 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.192255577604551e-15 | -7.411103071180146e-15 | -7.411103071180146e-11 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.192255577604551e-15 | -7.411103071180146e-15 | -7.411103071180146e-11 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.664535259100376e-15 | -6.883382752675971e-15 | -6.883382752675971e-11 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.664535259100376e-15 | -6.883382752675971e-15 | -6.883382752675971e-11 | PASS |
| valgrind: [foss2023a-serial] | -3.344985340466268e-15 | -7.563832834041862e-15 | -7.563832834041862e-11 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.228122216179831e-15 | -7.446969709755427e-15 | -7.446969709755426e-11 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | 0.000000000000000e+00 | -4.218847493575595e-15 | -4.218847493575595e-11 | PASS |